4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-
5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Also Known As: 4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)-|5-25-07-00007 (Beilstein Handbook Reference)|5-((4-Chlorophenyl)thio)-2-(methylthio)-4-pyrimidinecarboxylic acid|5-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine-4-carboxylic acid|5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid|4-Pyrimidinecarboxylic acid,5-((4-chlorophenyl)thio)-2-(methylthio)|4-Pyrimidinecarboxylicacid, 5-[(4-chlorophenyl)thio]-2-(methylthio)-|5-((4-Chlorophenyl)thio)-2-(methylthio)pyrimidine-4-carboxylic acid
| Molecular Formula | C12H9ClN2O2S2 |
|---|---|
| Molecular Weight | 311.9794 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.9794 |
| Monoisotopic Mass | 311.9794 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5558-95-2 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=C(C=C2)Cl |
| InChIKey | MHBYRHOFLOYWNI-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinecarboxylic acid, 5-((4-chlorophenyl)thio)-2-(methylthio)- (CAS 5558-95-2), with molecular formula C12H9ClN2O2S2 and molecular weight 311.9794 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-4-carboxylic acid.